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SCHEMBL3532533

SCHEMBL3532533

CN(CCSc1ccc(CC(=O)O)cc1)c1cccc(CNCCSc2ccc(CC(=O)O)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ LTB4R Q15722 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3532519 0.90 PRKAG1 (0.34) MTNR1AMTNR1BSMN1; SMN2HTR1ANOS1
SCHEMBL3532536 0.86 SLC6A4 (0.39) ALDH1A1HPGDSLC6A4GAALTB4R
SCHEMBL3539140 0.85 NPC1 (0.39) MTNR1AMTNR1BALDH1A1CYP1A2MAPT
SCHEMBL3537285 0.79 PPARA (0.39) —
SCHEMBL3535062 0.77 PPARG (0.56) CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL3532524 0.74 PRKAG1 (0.41) HTR1ACYP1A2CYP2C19GAALTB4R
SCHEMBL3538789 0.73 LTB4R (0.45) KDM4ELTB4RLTB4R2
SCHEMBL3532111 0.73 HRH3 (0.41) ALDH1A1SMN1; SMN2KDM4ECYP1A2HPGD
SCHEMBL3539146 0.69 FFAR1 (0.43) ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL3585067 0.69 PPARD (0.42) CNR1LTB4RLTB4R2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 — — EP claimed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 — — US claimed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 — — WO claimed
US-7816385-B2 Dimeric dicarboxylic acid derivatives, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2010-10-19 — — US disclosed
EP-1578716-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2005-09-28 — — EP disclosed
US-20040259950-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2004-12-23 — — US disclosed
WO-2004056740-A1 DICARBOXYLIC ACID DERIVATIVES AS PPAR-AGONISTS NOVO NORDISK A/S (DK) 2004-07-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040259950-A1 Novel compounds, their preparation and use PPARG, PPARA, PPARD MTNR1A 428/4885MTNR1B 412/4885ALDH1A1 926/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.